4DCJ

Crystal structure of caspase 3, L168D mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-05
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	49.834, 68.553, 93.811
Unit cell angles	90.00, 101.88, 90.00

Refinement procedure

Resolution	32.110 - 1.700
R-factor	0.19
Rwork	0.190
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	68014
Completeness [%]	99.8	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	20% PEG 6000, 100mM sodium citrate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K